ChemSpider 2D Image | Ethyl (2Z)-2-acetyl-4,4,5,5,5-pentafluoro-3-hydroxy-2-pentenoate | C9H9F5O4

Ethyl (2Z)-2-acetyl-4,4,5,5,5-pentafluoro-3-hydroxy-2-pentenoate

  • Molecular FormulaC9H9F5O4
  • Average mass276.157 Da
  • Monoisotopic mass276.042114 Da
  • ChemSpider ID95614483

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2Z)-2-Acétyl-4,4,5,5,5-pentafluoro-3-hydroxy-2-penténoate d'éthyle [French] [ACD/IUPAC Name]
2-Pentenoic acid, 2-acetyl-4,4,5,5,5-pentafluoro-3-hydroxy-, ethyl ester, (2Z)- [ACD/Index Name]
Ethyl (2Z)-2-acetyl-4,4,5,5,5-pentafluoro-3-hydroxy-2-pentenoate [ACD/IUPAC Name]
Ethyl-(2Z)-2-acetyl-4,4,5,5,5-pentafluor-3-hydroxy-2-pentenoat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 255.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 57.3±6.0 kJ/mol
Flash Point: 108.4±27.3 °C
Index of Refraction: 1.401
Molar Refractivity: 47.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 120.77
ACD/KOC (pH 5.5): 1015.92
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 7.89
ACD/KOC (pH 7.4): 66.34
Polar Surface Area: 64 Å2
Polarizability: 18.9±0.5 10-24cm3
Surface Tension: 28.9±3.0 dyne/cm
Molar Volume: 195.8±3.0 cm3

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